9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole

C18H14BrN — CID 167280699

IUPAC9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole
SMILESBrC1=CC=CC(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C18H14BrN/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-11,14H,12H2
InChIKeyNOOPPWMOALBKGC-UHFFFAOYSA-N
MW324.22 g/mol
LogP5.57
Rot. Bonds1

About 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole

9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole (PubChem CID 167280699) has the molecular formula C18H14BrN and a molecular weight of 324.22 g/mol. Its IUPAC name is 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole.

Molecular Properties

Compound Name9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole
PubChem CID167280699
Molecular FormulaC18H14BrN
Molecular Weight324.22 g/mol
Exact Mass323.03
IUPAC Name9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole
SMILESBrC1=CC=CC(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C18H14BrN/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-11,14H,12H2
InChIKeyNOOPPWMOALBKGC-UHFFFAOYSA-N
XLogP5.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole?
The IUPAC name of 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole (CID 167280699) is 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole.
What is the SMILES notation for 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole?
The canonical SMILES for 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole is BrC1=CC=CC(n2c3ccccc3c3ccccc32)C1.
What is the InChIKey of 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole?
The InChIKey is NOOPPWMOALBKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-11,14H,12H2.
What are the key properties of 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole?
9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole has a molecular weight of 324.22 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole is sourced from PubChem (CID 167280699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).